SCHEMBL14744165

SCHEMBL14744165

N#Cc1nn(Cc2ccncc2F)c2ncc(F)cc12

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
BUB1 O43683 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL174450 0.87 PDE5A (0.49) PDE5A
SCHEMBL322043 0.87 PDE5A (0.42) PDE5A
SCHEMBL15937696 0.84 PDE5A (0.32) PDE5A
SCHEMBL19407953 0.84 PDE5A (0.53) PDE5A
SCHEMBL19264503 0.83 PTGDR2 (0.41) PDE5APTGDR2LOXL2
SCHEMBL14488284 0.83 PDE5A (0.39) PDE5APTGDR2LOXL2
SCHEMBL326509 0.82 PDE5A (0.42) PDE5A
SCHEMBL14754824 0.81 PDE5A (0.39) PDE5APTGDR2LOXL2
SCHEMBL14488172 0.80 ELANE (0.33) PDE5A
SCHEMBL14743417 0.80 PDE5A (0.36) PDE5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 EP disclosed
EP-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 EP disclosed
EP-2729476-B1 HETEROARYL SUBSTITUTED PYRAZOLOPYRIDINES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER IP GMBH (DE) 2017-08-23 EP disclosed
EP-2729476-B1 HETEROARYL SUBSTITUTED PYRAZOLOPYRIDINES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER IP GMBH (DE) 2017-08-23 EP disclosed
US-20150105374-A1 Substituted annellated pyrimidines and use thereof BAYER IP GMBH (DE) 2015-04-16 US disclosed
US-20150105374-A1 Substituted annellated pyrimidines and use thereof BAYER IP GMBH (DE) 2015-04-16 US disclosed
US-8859569-B2 Substituted annellated pyrimidines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-14 US disclosed
US-8859569-B2 Substituted annellated pyrimidines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-14 US disclosed
US-20140228366-A1 HETEROARYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF AS SOLUBLE GUANYLATE CYCLASE STIMULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 US disclosed
US-20140228366-A1 HETEROARYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF AS SOLUBLE GUANYLATE CYCLASE STIMULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 US disclosed
EP-2751106-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-07-09 EP disclosed
WO-2013030288-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-07 WO disclosed
WO-2013030288-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150105374-A1 Substituted annellated pyrimidines and use thereof TYMS, TYMP, NUDT1 PDE5A 1606/4885PTGDR2 2603/4885LOXL2 3753/4885
US-20140228366-A1 HETEROARYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF AS SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A2, GUCY1B2, GUCY1B1 PDE5A 8/4885PTGDR2 97/4885LOXL2 2717/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.